2-phenyl-4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)-1H-pyrazol-5-one

C11H8N4O2S — CID 139220528

IUPAC2-phenyl-4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)-1H-pyrazol-5-one
SMILESO=c1[nH]n(-c2ccccc2)cc1-c1n[nH]c(=S)o1
InChIInChI=1S/C11H8N4O2S/c16-9-8(10-12-13-11(18)17-10)6-15(14-9)7-4-2-1-3-5-7/h1-6H,(H,13,18)(H,14,16)
InChIKeyFOTUDYASLIKGEI-UHFFFAOYSA-N
MW260.28 g/mol
LogP1.88
Rot. Bonds2

About 2-phenyl-4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)-1H-pyrazol-5-one

2-phenyl-4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)-1H-pyrazol-5-one (PubChem CID 139220528) has the molecular formula C11H8N4O2S and a molecular weight of 260.28 g/mol. Its IUPAC name is 2-phenyl-4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)-1H-pyrazol-5-one.

Molecular Properties

Compound Name2-phenyl-4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)-1H-pyrazol-5-one
PubChem CID139220528
Molecular FormulaC11H8N4O2S
Molecular Weight260.28 g/mol
Exact Mass260.04
IUPAC Name2-phenyl-4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)-1H-pyrazol-5-one
SMILESO=c1[nH]n(-c2ccccc2)cc1-c1n[nH]c(=S)o1
InChIInChI=1S/C11H8N4O2S/c16-9-8(10-12-13-11(18)17-10)6-15(14-9)7-4-2-1-3-5-7/h1-6H,(H,13,18)(H,14,16)
InChIKeyFOTUDYASLIKGEI-UHFFFAOYSA-N
XLogP1.88
TPSA79.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-phenyl-4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)-1H-pyrazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)-1H-pyrazol-5-one?
The IUPAC name of 2-phenyl-4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)-1H-pyrazol-5-one (CID 139220528) is 2-phenyl-4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)-1H-pyrazol-5-one.
What is the SMILES notation for 2-phenyl-4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)-1H-pyrazol-5-one?
The canonical SMILES for 2-phenyl-4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)-1H-pyrazol-5-one is O=c1[nH]n(-c2ccccc2)cc1-c1n[nH]c(=S)o1.
What is the InChIKey of 2-phenyl-4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)-1H-pyrazol-5-one?
The InChIKey is FOTUDYASLIKGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O2S/c16-9-8(10-12-13-11(18)17-10)6-15(14-9)7-4-2-1-3-5-7/h1-6H,(H,13,18)(H,14,16).
What are the key properties of 2-phenyl-4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)-1H-pyrazol-5-one?
2-phenyl-4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)-1H-pyrazol-5-one has a molecular weight of 260.28 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)-1H-pyrazol-5-one is sourced from PubChem (CID 139220528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).